Datasets from the Harvard University



X-Ray Diffraction data from Hen egg-white lysozyme (HEWL), source of structure

A series of 3049 pink-beam, polychromatic still images spaced one degree between adjacent frames. Metadata: Detector distance: 200 mm Beam center: (176.22 mm, 174.68 mm) Peak wavelength: 1.05 Angstroms Bandwidth: 5.5% (BioCARS) Unit cell constants: 79.405, 79.405, 37.837, 90.00, 90.00, 90.00 Space group: P43212

X-Ray Diffraction data from E. coli dihydrofolate reductase bound to NADP+ and folate, source of structure

A series of 180 pink-beam, polychromatic still images spaced one degree between adjacent images. Metadata: Detector distance: 200 mm Beam center: (176.00 mm, 173.93 mm) Peak wavelength: 1.05 Angstroms Beam spectral bandwidth: 5.5% (BioCARS) Unit cell: 34.297, 45.552, 99.035, 90, 90, 90 Space group: P212121

X-Ray Diffraction data from Second PDZ domain of Ligand of Numb protein X 2 (human), source of 5E11 structure

Time-resolved data consisting of four passes of pink still images for PDZ2. Passes C, D, and E are spaced two degrees between adjacent images, with pass F spaced one degree between adjacent images. Start angles are 0, 92, 181, and 361.5 degrees for passes C, D, E, and F respectively. Time points are collected at 0, 50, 100, and 200 nanoseconds per image per pass. Metadata: Detector distance: 200 mm Beam center: (175.76 mm, 154.17 mm) Peak wavelength: 1.04 Angstroms Beam spectral bandwidth: 5.5% (BioCARS) Unit cell: 65.3, 39.45, 39.01, 90, 117.54, 90 Space group: C121 Applied voltage: 6.01 kV

X-Ray Diffraction data from Cadmium-bound WT Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E6M structure

High resolution dataset collected from a single WT LCP crystal soaked in precipitant having cadmium.

X-Ray Diffraction data from Mn-bound D296A mutant Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E6L structure

Datasets of Mn-bound D296A was collected from 3 LCP crystals. Image files that start C7run1_17 are from the first crystal, C7run2_19 are from the second crystal and C7run4_20 are from the third crystal.

X-Ray Diffraction data from Mn-bound M230A mutant Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E6I structure

High resolution datasets of Mn-bound M230A mutant collected from 3 separate LCP crystals. Image files that start A131_run2 are from the first crystal, A132_run3 are from the second crystal and A133_run5 are from the third crystal.

X-Ray Diffraction data from Mn-bound A47W mutant Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E6H structure

High resolution dataset of Mn-bound A47W mutant collected from a single LCP crystal

X-Ray Diffraction data from Manganese-bound WT Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E60 structure

High resolution dataset of a single LCP crystal of WT soaked in precipitant containing manganese

X-Ray Diffraction data from WTsoak Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E5V structure

High resolution dataset of a single LCP crystal of WT mock-soaked in precipitant

X-Ray Diffraction data from WT Nramp/MntH divalent transition metal transporter from Deinococcus radiodurans, source of 8E5S structure

High resolution dataset of WT protein obtained from single LCP crystal

X-Ray Diffraction data from Protein tyrosine phosphatase 1B, source of 7RIN structure

Apo PTP1B by Native S-SAD at Room Temperature

X-Ray Diffraction data from Protein tyrosine phosphatase 1B, source of 7MM1 structure

PTP1B in complex with TCS401 by Native S-SAD at Room Temperature

X-Ray Diffraction data from S95A ClbP bound to monoolein, source of 7MDE structure

Data collected at the selenium edge of a single crystal of selenomethionine-substituted ClbP grown in a monoolein mesophase.

X-Ray Diffraction data from Wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid, source of 7MDC structure

Data collected from a single crystal of the wildtype ClbP peptidase covalently inhibited by a boronic acid and grown in a monopalmitolein mesophase.

X-Ray Diffraction data from S95A ClbP bound to acyl-D-asparagine product analog, source of 7MDF structure

Bromine edge data collected from two crystals of the ClbP peptidase grown in presence of a substrate analog and in a monopalmitolein mesophase.

X-Ray Diffraction data from Dihydrofolate reductase, source of 7LVC structure

E. coli DHFR by Native Mn,P,S-SAD at Room Temperature

X-Ray Diffraction data from Hen Egg White Lysozyme, source of 7L84 structure

Hen Egg White Lysozyme by Native S-SAD at Room Temperature

X-Ray Diffraction data from NS1-inhibitor-bound human nicotinamide N-methyl transferase, source of 6ORR structure

native data set; best data set collected; contained multiple lattices

X-Ray Diffraction data from Deinococcus radiodurans Nramp/MntH divalent transition metal transporter mutant G223W, apo, source of 6D91 structure

39 wedges from LCP crystals collected with

X-Ray Diffraction data from Deinococcus radiodurans Nramp/MntH divalent transition metal transporter mutant G45R, source of 6C3I structure

Two wedges from separate LCP crystals were combined for a final data set that consisted of frames 1-400 of RG007_02_2 and frames 1-150 of RG007_03_1.

X-Ray Diffraction data from Deinococcus radiodurans Nramp/MntH divalent transition metal transporter in the outward-open, mangan, source of 6BU5 structure

Native dataset from 23 separate wedges from ~15 separate LCP crystals. Image files that start RG006_0101 are from the first wedge, RG006_0102 are from the second wedge etc. Only the frames from each wedge with usable diffraction data are included.

X-Ray Diffraction data from SpoIIE from Bacillus subtilis, source of 5UCG structure

Original images for 5UCG: Structure of the PP2C Phosphatase Domain and a Fragment of the Regulatory Domain of the Cell Fate Determinant SpoIIE from Bacillus Subtilis. From Bradshaw et al. eLife 2017;6:e26111.

X-Ray Diffraction data from Human Protocadherin-15 EC3-5 D414A Variant, source of 5T4N structure

Native dataset used to determine the structure of Human Protocadherin-15 EC3-5 D414A Variant using molecular replacement.

X-Ray Diffraction data from Mouse Protocadherin-15 EC4-5, source of 5T4M structure

Native dataset used to determine low resolution structure of Mouse Protocadherin-15 EC4-5. The EC4-5 structure was then used as a molecular replacement search model to determine the structure of Human Protocadherin-15 EC3-5 (PDB Code: 5T4M)

X-Ray Diffraction data from Human Protocadherin-15 EC3-5, source of 5T4M structure

Native dataset of Human Protocadherin-15 EC3-5 used to determine structure using molecular replacement.

X-Ray Diffraction data from Fab against Deinococcus radiodurans MntH, source of structure

Native dataset.

X-Ray Diffraction data from Deinococcus radiodurans MntH in complex with Fab, source of 5KTE structure

The second of two osmium containing data sets.

X-Ray Diffraction data from Deinococcus radiodurans MntH in complex with Fab, source of 5KTE structure

One of two Osmium containing data sets.

X-Ray Diffraction data from Deinococcus radiodurans MntH in complex with Fab, source of 5KTE structure

Native dataset.

X-Ray Diffraction data from human PcdhgB3 EC1-4, source of 5K8R structure

Native data

X-Ray Diffraction data from mouse PcdhgC3 EC1-3, source of 4ZI8 structure

Native dataset

X-Ray Diffraction data from mouse PcdhgA1 EC1-3, source of 4ZI9 structure

Native dataset

X-Ray Diffraction data from TRPV1-ARD, source of 2PNN structure

TRPV1-ARD native dataset

X-Ray Diffraction data from TRPV1-ARD, source of 2NYJ structure

Seleno-methionine single wavelength anomalous diffraction dataset